Results for:
PubChem ID: 6997

2-ethylphenol

Mass-Spectra

Compound Details

Synonymous names
2-ETHYLPHENOL
90-00-6
o-Ethylphenol
Phlorol
Phenol, o-ethyl-
Phenol, 2-ethyl-
ETHYLPHENOL
1-Ethyl-2-hydroxybenzene
1-Hydroxy-2-ethylbenzene
Phenol, ethyl-
Florol
o-Ethyl phenol
2-Ethyl-phenol
25429-37-2
NSC 10112
o-Hydroxyethylbenzene
MFCD00002249
DTXSID1022479
CHEBI:34275
355O0P4JU7
NSC-10112
Florol [Czech]
DTXCID702479
CAS-90-00-6
Benzene, 1-ethyl-2-hydroxy-
CCRIS 6038
HSDB 5267
EINECS 201-958-4
BRN 1099397
UNII-C27Y543KVA
UNII-355O0P4JU7
2-ethyl phenol
2-Ethylphenol, 99%
2-ETHYLPHENOL [MI]
SCHEMBL51108
4-06-00-03011 (Beilstein Handbook Reference)
BIDD:ER0661
C27Y543KVA
CHEMBL321029
SGCUT00114
NSC10112
STR06133
to_000008
Tox21_202327
Tox21_302885
AKOS000119353
MCULE-1491819809
NCGC00091780-01
NCGC00091780-02
NCGC00256439-01
NCGC00259876-01
2-Ethylphenol 100 microg/mL in Methanol
SY012952
2-Ethylphenol 1000 microg/mL in Methanol
DB-021047
METACRESOL IMPURITY E [EP IMPURITY]
CS-0152504
E0160
NS00020546
EN300-20199
A15993
G69374
2-Ethylphenol, PESTANAL(R), analytical standard
J-509333
Q27115959
Z104477226
InChI=1/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H
JZ1
Microorganism:

Yes

IUPAC name2-ethylphenol
SMILESCCC1=CC=CC=C1O
InchiInChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
FormulaC8H10O
PubChem ID6997
Molweight122.16
LogP2.5
Atoms9
Bonds1
H-bond Acceptor1
H-bond Donor1
Chemical Classificationbenzenoids aromatic compounds phenols alkylphenols
CHEBI-ID34275
Supernatural-IDSN0158064

mVOC Specific Details

Boiling Point
DegreeReference
204.5 °C peer reviewed
Volatilization
The Henry's Law constant for 2-ethylphenol is estimated as 4.6X10-6 atm-cu m/mole(SRC) from its experimental values for vapor pressure, 0.153 mm Hg at 25 deg C(1), and water solubility, 5340 mg/L at 25 deg C(2). This value indicates that 2-ethylphenol will volatilize from water surfaces(3,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 9 days(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 68 days(3,SRC). 2-Ethylphenol's values for vapor pressure(1) and estimated Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil surfaces is possible, but is not likely to be a major fate process for this compound(SRC).
Literature: (1) Biddiscombe DP et al; J Chem Soc. pp. 5764-8 (1963) (2) Mueller M, Klein W; Chemosphere 25: 769-82 (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of 2-ethylphenol is estimated as approximately 530(SRC), using a measured log Kow of 2.47(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that 2-ethylphenol has moderate to low mobility in soil(SRC).
Literature: (1) Hansch C, Leo AJ; Pomona College Medicinal Chemistry Project. Claremont, CA. Log P Database (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
0.153 mm Hg at 25 deg C.Biddiscombe DP et al; J Chem Soc pp. 5764-8 (1963)
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaSerratia Proteamaculansn/aNAErcolini et al. 2009
ProkaryotaCarnobacterium Divergensn/aNAErcolini et al. 2009
ProkaryotaPseudomonas Fragin/aNAErcolini et al. 2009
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno